2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C12H10FN3OS — CID 16764673

IUPAC2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C12H10FN3OS/c13-7-3-1-2-6(4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17)
InChIKeyFTDVLQVVYREJDK-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.34
Rot. Bonds1

About 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 16764673) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID16764673
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C12H10FN3OS/c13-7-3-1-2-6(4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17)
InChIKeyFTDVLQVVYREJDK-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 16764673) is 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)C(c1cccc(F)c1)CC(=O)N2.
What is the InChIKey of 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is FTDVLQVVYREJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c13-7-3-1-2-6(4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 263.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 16764673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).